Information card for entry 7125180

Structure parameters

• Formula: C54 H54 O2 Si2 Sm
• Calculated formula: C54 H54 O2 Si2 Sm
• Title of publication: SmCp^R₂-mediated cross-coupling of allyl and propargyl ethers with ketoesters and a telescoped approach to complex cycloheptanols.
• Authors of publication: Plesniak, Mateusz P.; Just-Baringo, Xavier; Ortu, Fabrizio; Mills, David P.; Procter, David J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 92
• Pages of publication: 13503 - 13506
• a: 17.123 ± 0.0006 Å
• b: 9.6421 ± 0.0003 Å
• c: 27.6291 ± 0.0011 Å
• α: 90°
• β: 99.283 ± 0.004°
• γ: 90°
• Cell volume: 4501.9 ± 0.3 ų
• Cell temperature: 120 ± 3 K
• Ambient diffraction temperature: 120 ± 3 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1514
• Weighted residual factors for all reflections included in the refinement: 0.1586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No